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DocumentationIdentifier: MM105662
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM105662 |
| SMILES |
CNCCNC(C)=N
|
| InChIKey |
KEEKBGNIIDBATI-UHFFFAOYSA-N
|
| MW [Da] |
115.18
Automatically obtained from RDkit software. |
| LogP |
-0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM152815
Similarity: 0.92
Similarity to MM152815
| Tanimoto metric | 0.92 |
|---|---|
| Cosine metric | 0.9592 |
| Dice metric | 0.9583 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97377
Similarity: 0.8261
Similarity to MM97377
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 101.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166452
Similarity: 0.7667
Similarity to MM166452
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8756 |
| Dice metric | 0.8679 |
| MW: | 130.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+327 more
